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4S0I

Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: 11BIF, 42F, 79S, and 123A mutant

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL11-1
Synchrotron siteSSRL
BeamlineBL11-1
Temperature [K]100
Detector technologyPIXEL
Collection date2014-03
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97945
Spacegroup nameI 2 2 2
Unit cell lengths52.614, 78.915, 91.063
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution31.560 - 2.360
R-factor0.19239
Rwork0.190
R-free0.23788
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1y2q
RMSD bond length0.018
RMSD bond angle2.042
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0073)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.450
High resolution limit [Å]2.3602.360
Rmerge0.0760.493
Number of reflections8045
<I/σ(I)>15.33.3
Completeness [%]99.899.6
Redundancy5.86
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.752930.1M sodium citrate, 15% PEG 6000, pH 4.75, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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